Geometry & MOs

Info

ID:	313047
PubChem CID:	126610920
Reduced:	SN2O8H28C34 (1)
Stoich.:	AB2C8D28E34 (1)
Weight, g/mol:	294.07712
ΔH_f, kcal/mol:	-112.36
Dipole, Da:	4.14
IP(EA), eV:	-9.83(-1.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (2R,5S)-3-(3-chloro-4-cyanophenyl)-2-methyl-1,3-oxazolidine-5-carboxylate

Drug info:

PubChemData

Smile

C1C(O1)COC(=O)C2=CC=C(C=C2)C=NC3=CC=C(C=C3)S(=O)(=O)C4=CC=C(C=C4)N=CC5=CC=C(C=C5)C(=O)OCC6CO6

DOS

IR

Vibrations